Reaction Details Report a problem with these data
Target
Envelope glycoprotein gp160
Ligand
BDBM70230
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion, cell-cell fusion assay
IC50
12700±1400 nM
Citation
 PubChem, PC SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion, cell-cell fusion assay PubChem Bioassay (2010)[AID] 
Target
Name:
Envelope glycoprotein gp160
Synonyms:
envelope glycoprotein
Type:
Enzyme Catalytic Domain
Mol. Mass.:
91798.58
Organism:
Human immunodeficiency virus 1
Description:
gi_45357394
Residue:
814
Sequence:
MRVKGIRRNYQHLWRWGTMLLGMLMICSAKEQLWVTAYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPREVVMGNVTEEFNIWNNSMVEQMHEDIISLWDESLKPCVKLTPLCVTFNCTNYNGTRNGTTTEPPEVKNCTTKETGIKNCSFNIATSGVEDRFKKEYALLYTADIVQIDNSSINYTLIGCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGKGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEVVIRSDNFSDNAKTIIVQLKDPVVINCTRPNNNTRKGIRIGPGRTFYTTERIIGDIRQAHCNISRTQWNNTLRLIAAKLKKQFNNKTIIFRNSSGGDPEIVMHSFNCGGEFFYCNTTQLFNSTWVHNNTWVHNNTGNDTEEGTITLPCRIKQIINMWQEVGKAMYAPPIKGQIRCSSNITGLILTRDGGNTSSNNETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKARRRVVQREKRAVGMLGAMFLGFLGAAGSTMGAASLALTVQARQVVSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARVLAVERYLGDQQLLGIWGCSGKLICTTAVPWNDSWSNKSLKYIWDNMTWMQWEKEIDIHVDTIYQLLEASQYQQEKNEKDLLELDKWESLWNWFDITNWLWYIKIFIMIVGGLIGLRIVFTVLSIVNRVRQGYSPLSLQTRLPTQRGPDRPEGIEEEGGERQRHIRSISEWILNNYPGRPAEPVPLQLPPLERLTLDCNEDCGTSGTQGVGSPQVFVESPPVLESGTKEECC
  
Inhibitor
Name:
BDBM70230
Synonyms:
MLS-0370735.0001 | [4-[(Z)-(5-azanylidene-3-methylsulfonyl-7-oxidanylidene-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]phenyl] benzenesulfonate | [4-[(Z)-(5-imino-3-methylsulfonyl-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]phenyl] benzenesulfonate | benzenesulfonic acid [4-[(Z)-(5-imino-3-methylsulfonyl-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]phenyl] ester | benzenesulfonic acid [4-[(Z)-(5-imino-7-keto-3-mesyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]phenyl] ester | cid_24816534
Type:
Small organic molecule
Emp. Form.:
C19H14N4O6S3
Mol. Mass.:
490.533
SMILES:
CS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=N)N12 |t:4,7|
Structure:
Search PDB for entries with ligand similarity: